1,1'-biphenyl;2-methylidenepropanedinitrile

C16H12N2 — CID 87130284

IUPAC1,1'-biphenyl;2-methylidenepropanedinitrile
SMILESC=C(C#N)C#N.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H2N2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2-5)3-6/h1-10H;1H2
InChIKeyFFHOBNXHKHHLIA-UHFFFAOYSA-N
MW232.29 g/mol
LogP3.94
Rot. Bonds1

About 1,1'-biphenyl;2-methylidenepropanedinitrile

1,1'-biphenyl;2-methylidenepropanedinitrile (PubChem CID 87130284) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 1,1'-biphenyl;2-methylidenepropanedinitrile.

Molecular Properties

Compound Name1,1'-biphenyl;2-methylidenepropanedinitrile
PubChem CID87130284
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name1,1'-biphenyl;2-methylidenepropanedinitrile
SMILESC=C(C#N)C#N.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C4H2N2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2-5)3-6/h1-10H;1H2
InChIKeyFFHOBNXHKHHLIA-UHFFFAOYSA-N
XLogP3.94
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;2-methylidenepropanedinitrile?
The IUPAC name of 1,1'-biphenyl;2-methylidenepropanedinitrile (CID 87130284) is 1,1'-biphenyl;2-methylidenepropanedinitrile.
What is the SMILES notation for 1,1'-biphenyl;2-methylidenepropanedinitrile?
The canonical SMILES for 1,1'-biphenyl;2-methylidenepropanedinitrile is C=C(C#N)C#N.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;2-methylidenepropanedinitrile?
The InChIKey is FFHOBNXHKHHLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C4H2N2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-4(2-5)3-6/h1-10H;1H2.
What are the key properties of 1,1'-biphenyl;2-methylidenepropanedinitrile?
1,1'-biphenyl;2-methylidenepropanedinitrile has a molecular weight of 232.29 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2-methylidenepropanedinitrile is sourced from PubChem (CID 87130284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).